SCHEMBL28092593

SCHEMBL28092593

COC(O)C(C)CC(C)CO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 2/20 0.33
TSHR P16473 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2924777 0.79 TDP1 (0.33) TDP1TSHR
SCHEMBL15726446 0.75
SCHEMBL8401595 0.74 TDP1 (0.42) TDP1TRPA1TSHR
SCHEMBL8940598 0.72 TSHR (0.38) TDP1TRPA1TSHR
SCHEMBL5372254 0.71 TSHR (0.41) TDP1TRPA1TSHR
SCHEMBL4454978 0.71 TSHR (0.41) TDP1TRPA1TSHR
SCHEMBL5797146 0.70 TDP1 (0.38) TDP1TRPA1TSHR
SCHEMBL6569862 0.70 TSHR (0.54) TDP1TRPA1TSHR
SCHEMBL45749 0.69
SCHEMBL1328939 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105917275-A Liquid photoreactive composition and method of fabricating a structure 3M创新有限公司 2016-08-31 CN disclosed